SCHEMBL1072249

SCHEMBL1072249

O=C(Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)n12)C(O)CO

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
UBE2N P61088 1/20 0.41
MAPK1 P28482 1/20 0.37
PPARG P37231 1/20 0.37
NLRP3 Q96P20 1/20 0.35
ENPP2 Q13822 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1082515 0.89 SMN1; SMN2 (0.44) SCDSMN1; SMN2LMNAHTTUBE2N
SCHEMBL1025492 0.86 SCD (0.57) SCDSMN1; SMN2LMNAHTTUBE2N
SCHEMBL1022885 0.84 SCD (0.48) SCDSMN1; SMN2LMNAHTTUBE2N
SCHEMBL1074629 0.84 SCD (0.45) SCDSMN1; SMN2LMNAHTTUBE2N
SCHEMBL4128215 0.82 SMN1; SMN2 (0.41) SCDSMN1; SMN2LMNAHTTUBE2N
SCHEMBL1074645 0.80 FLT1 (0.36) SCDSMN1; SMN2LMNAMAPK1
SCHEMBL1074313 0.80 SCD (0.41) SCDSMN1; SMN2LMNAHTTUBE2N
SCHEMBL1074765 0.79 SCD (0.45) SCDSMN1; SMN2LMNAHTTUBE2N
SCHEMBL1021354 0.79 SMN1; SMN2 (0.42) SCDSMN1; SMN2LMNAHTTUBE2N
SCHEMBL1071820 0.79 SMN1; SMN2 (0.43) SCDSMN1; SMN2LMNAHTTUBE2N

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274308-A1 PYRROLOTRIAZINONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS Gilead Sciences, Inc. (US) 2011-01-19 EP claimed
WO-2009124259-A1 PYRROLOTRIAZINONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS CV THERAPEUTICS, INC. (US) 2009-10-08 WO claimed
US-20090253704-A1 PYRROLOTRIAZINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS CV THERAPEUTICS, INC. 2009-10-08 US claimed
EP-2274308-A1 PYRROLOTRIAZINONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS Gilead Sciences, Inc. (US) 2011-01-19 EP disclosed
WO-2009124259-A1 PYRROLOTRIAZINONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS CV THERAPEUTICS, INC. (US) 2009-10-08 WO disclosed
US-20090253704-A1 PYRROLOTRIAZINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS CV THERAPEUTICS, INC. 2009-10-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090253704-A1 PYRROLOTRIAZINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 SCD 1/4885SMN1; SMN2 4467/4885LMNA 2131/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.